N-[3-(Dimethylamino)propyl]-5-(heptanoylamino)-2-(pyrrolidin-1-yl)benzamide

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Basic information

CAS: 5896-72-0
Standard SMILES: CCCCCCC(=O)Nc1ccc(N2CCCC2)c(C(=O)NCCCN(C)C)c1
InChIKey: PQCPALJHMSKESG-UHFFFAOYSA-N
Molecular formula: C23H38N4O2
Average molar mass: 402.6 g/mol
Monoisotopic mass: 402.29947647

Names & identifiers

Preferred name: N-[3-(Dimethylamino)propyl]-5-(heptanoylamino)-2-(pyrrolidin-1-yl)benzamide
IUPAC: N-[3-(dimethylamino)propyl]-5-(heptanoylamino)-2-pyrrolidin-1-ylbenzamide

Names & synonyms

5896-72-0DTXSID30409587N-[3-(Dimethylamino)propyl]-5-(heptanoylamino)-2-(pyrrolidin-1-yl)benzamideN-[3-(Dimethylamino)propyl]-5-heptanamido-2-(pyrrolidin-1-yl)benzamide

Database identifiers

CAS: 5896-72-0
PubChem CID: 5202152
DTXSID: DTXSID30409587

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 64.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 12
Heavy atoms: 29
Formal charge: 0
Complexity: 491

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